SCHEMBL6341804

SCHEMBL6341804

Cc1ccc(C#N)cc1NC(=O)CCl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 1/20 0.53
KCNH2 Q12809 1/20 0.50
KDM4E B2RXH2 3/20 0.48
LMNA P02545 4/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPK14 Q16539 1/20 0.44
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
MITF O75030 1/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31703290 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HTTLMNAPOLB
SCHEMBL13435471 0.83 POLB (0.46) ALDH1A1SMN1; SMN2HTTKDM4ELMNA
SCHEMBL31703491 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HTTKDM4ELMNA
SCHEMBL29560180 0.81 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2HTTKDM4ELMNA
SCHEMBL22897687 0.81 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2HTTKDM4ELMNA
SCHEMBL9031483 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTKCNH2KDM4E
SCHEMBL4001716 0.79 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2HTTLMNAPOLB
SCHEMBL4005240 0.78 GAA (0.71) ALDH1A1SMN1; SMN2HTTLMNAPOLB
SCHEMBL22897878 0.77 KDM4E (0.42) ALDH1A1SMN1; SMN2HTTKCNH2KDM4E
SCHEMBL17112950 0.77 PDK1 (0.49) ALDH1A1HTTKCNH2KDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969713-B2 Piperidine and piperazine acetamide derivatives ASTRAZENECA AB (SE) 2005-11-29 US disclosed
EP-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 EP disclosed
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 US disclosed
EP-1242427-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001046200-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 ALDH1A1 68/4885SMN1; SMN2 2063/4885HTT 2520/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.